(5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C25H27N3O3S — CID 10310488

IUPAC(5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc2c(cc1-c1cc(/C=C3\SC(=O)NC3=O)ccc1N(C)C)N(C)C(=O)CC2(C)C
InChIInChI=1S/C25H27N3O3S/c1-14-9-18-20(28(6)22(29)13-25(18,2)3)12-16(14)17-10-15(7-8-19(17)27(4)5)11-21-23(30)26-24(31)32-21/h7-12H,13H2,1-6H3,(H,26,30,31)/b21-11-
InChIKeyOVGKEHDDXLFCLP-NHDPSOOVSA-N
MW449.58 g/mol
LogP4.70
Rot. Bonds3

About (5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 10310488) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is (5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID10310488
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name(5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc2c(cc1-c1cc(/C=C3\SC(=O)NC3=O)ccc1N(C)C)N(C)C(=O)CC2(C)C
InChIInChI=1S/C25H27N3O3S/c1-14-9-18-20(28(6)22(29)13-25(18,2)3)12-16(14)17-10-15(7-8-19(17)27(4)5)11-21-23(30)26-24(31)32-21/h7-12H,13H2,1-6H3,(H,26,30,31)/b21-11-
InChIKeyOVGKEHDDXLFCLP-NHDPSOOVSA-N
XLogP4.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 10310488) is (5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1cc2c(cc1-c1cc(/C=C3\SC(=O)NC3=O)ccc1N(C)C)N(C)C(=O)CC2(C)C.
What is the InChIKey of (5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is OVGKEHDDXLFCLP-NHDPSOOVSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-14-9-18-20(28(6)22(29)13-25(18,2)3)12-16(14)17-10-15(7-8-19(17)27(4)5)11-21-23(30)26-24(31)32-21/h7-12H,13H2,1-6H3,(H,26,30,31)/b21-11-.
What are the key properties of (5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 449.58 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10310488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).